SCHEMBL4895747

SCHEMBL4895747

CC(C)(C)N(C(=O)O)C1Cc2ncccc2N(Cc2ccc(S(C)(=O)=O)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.39
ENPP2 Q13822 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
STAT6 P42226 1/20 0.35
GPR119 Q8TDV5 3/20 0.34
KCNN4 O15554 1/20 0.34
LMNA P02545 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CYP11B2 P19099 1/20 0.34
MAPK8 P45983 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4899362 0.87 MEN1 (0.42) MEN1KMT2APTGDR2ALDH1A1CYP1A2
SCHEMBL4896111 0.86 NPSR1 (0.41) MEN1KMT2APTGDR2ALDH1A1KCNN4
SCHEMBL4897374 0.83 PTGDR2 (0.41) MEN1KMT2APTGDR2ENPP2CYP3A4
SCHEMBL4894380 0.81 MEN1 (0.37) MEN1KMT2AGAALMNA
SCHEMBL4891152 0.79 PARK7 (0.36) MEN1KMT2AALDH1A1CYP1A2GAA
Hydrochloric Acid SCHEMBL4897282 0.78 BRD4 (0.44) BRD4MEN1KMT2APTGDR2CYP3A4
SCHEMBL4899852 0.78 ALDH1A1 (0.41) BRD4MEN1KMT2AALDH1A1GAA
SCHEMBL4897077 0.77 RIPK1 (0.38) MEN1KMT2AALDH1A1GAAHPGD
SCHEMBL4897407 0.75 CYP1A2 (0.39) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL4896795 0.73 SCN9A (0.37) BRD4ENPP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes DPP4, DPP8, DPP3 BRD4 66/4885MEN1 2942/4885KMT2A 911/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.